N-[4-[(N-ethylanilino)methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide

C22H25N3OS — CID 78822480

IUPACN-[4-[(N-ethylanilino)methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1N(C(C)=O)c1nc(CN(CC)c2ccccc2)cs1
InChIInChI=1S/C22H25N3OS/c1-4-18-11-9-10-14-21(18)25(17(3)26)22-23-19(16-27-22)15-24(5-2)20-12-7-6-8-13-20/h6-14,16H,4-5,15H2,1-3H3
InChIKeyACOJAJSIASDEGL-UHFFFAOYSA-N
MW379.53 g/mol
LogP5.42
Rot. Bonds7

About N-[4-[(N-ethylanilino)methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide

N-[4-[(N-ethylanilino)methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide (PubChem CID 78822480) has the molecular formula C22H25N3OS and a molecular weight of 379.53 g/mol. Its IUPAC name is N-[4-[(N-ethylanilino)methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-[(N-ethylanilino)methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide
PubChem CID78822480
Molecular FormulaC22H25N3OS
Molecular Weight379.53 g/mol
Exact Mass379.17
IUPAC NameN-[4-[(N-ethylanilino)methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1N(C(C)=O)c1nc(CN(CC)c2ccccc2)cs1
InChIInChI=1S/C22H25N3OS/c1-4-18-11-9-10-14-21(18)25(17(3)26)22-23-19(16-27-22)15-24(5-2)20-12-7-6-8-13-20/h6-14,16H,4-5,15H2,1-3H3
InChIKeyACOJAJSIASDEGL-UHFFFAOYSA-N
XLogP5.42
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.53
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[4-[(N-ethylanilino)methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[[(5-chlorothiophen-2-yl)methyl-ethylamino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide
CID 78817704
2-[[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl-ethylamino]-N-propan-2-ylacetamide
CID 78818462
N-[4-[[1-cyclopropylethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide
CID 78843645
N-[4-[[benzyl(1-cyclopropylethyl)amino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide
CID 78823715
N-[4-[(4-benzylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide
CID 78815351
N-[4-[[cyclopropylmethyl(propyl)amino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide
CID 78822809
N-(2-ethylphenyl)-N-[4-[[2-(4-fluorophenoxy)ethyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide
CID 78818770
N-[2-[[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methylcarbamothioylamino]ethyl]acetamide
CID 8788821
N-(2-ethylphenyl)-N-[4-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 8788294
N-(2-ethylphenyl)-N-[4-[[(3-methoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide
CID 78817692
N-[4-[[1-(2-chlorophenyl)ethylamino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide
CID 78733668
N-(2-ethylphenyl)-N-[4-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 112774769

Frequently Asked Questions

What is the IUPAC name of N-[4-[(N-ethylanilino)methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide?
The IUPAC name of N-[4-[(N-ethylanilino)methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide (CID 78822480) is N-[4-[(N-ethylanilino)methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for N-[4-[(N-ethylanilino)methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide?
The canonical SMILES for N-[4-[(N-ethylanilino)methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide is CCc1ccccc1N(C(C)=O)c1nc(CN(CC)c2ccccc2)cs1.
What is the InChIKey of N-[4-[(N-ethylanilino)methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide?
The InChIKey is ACOJAJSIASDEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3OS/c1-4-18-11-9-10-14-21(18)25(17(3)26)22-23-19(16-27-22)15-24(5-2)20-12-7-6-8-13-20/h6-14,16H,4-5,15H2,1-3H3.
What are the key properties of N-[4-[(N-ethylanilino)methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide?
N-[4-[(N-ethylanilino)methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide has a molecular weight of 379.53 g/mol, XLogP of 5.42, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(N-ethylanilino)methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 78822480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).